%chk=000279712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279712

0 1
O 2.224620 -0.528381 1.887400
O -0.234099 -1.485684 1.756230
N -1.423859 -1.579563 -0.175141
N -4.007363 -0.326414 -0.588341
C 2.216360 -0.850878 0.500257
C 2.526990 -2.355169 0.297765
C 3.400075 -0.068569 -0.107543
C 0.842055 -0.470014 -0.151298
C 3.499658 -2.425824 -0.885753
C 4.211739 -1.059829 -0.956323
C -0.306031 -1.176188 0.568025
C 0.582973 1.017539 -0.128703
C -1.791351 -0.975184 -1.482660
C -2.629323 -2.042964 0.573943
C -2.784243 0.190069 -1.288805
C -3.643836 -0.895285 0.752935
C 0.452482 1.724214 -1.334337
C 0.470358 1.701596 1.091553
C -5.012637 0.766368 -0.430946
C 0.195719 3.098216 -1.315124
C 0.214127 3.074001 1.104414
C 0.071158 3.774654 -0.098032
H 1.629360 -2.970522 0.141689
H 3.001989 -2.743360 1.220268
H 4.009313 0.345280 0.722066
H 3.070224 0.802550 -0.695181
H 0.901636 -0.828419 -1.213153
H 2.957849 -2.631450 -1.824999
H 4.223191 -3.248355 -0.760014
H 5.242749 -1.141344 -0.569044
H 4.300367 -0.713312 -1.998818
H 1.478777 -0.992499 2.369469
H -2.264005 -1.776006 -2.100631
H -0.889410 -0.632229 -2.029723
H -2.320086 -2.442119 1.568296
H -3.084644 -2.880206 -0.000635
H -2.287549 1.029053 -0.752881
H -3.095379 0.578494 -2.282274
H -4.571022 -1.297955 1.215537
H -3.234615 -0.136044 1.454295
H 0.562388 1.213147 -2.288027
H 0.610818 1.153683 2.028859
H -5.306878 1.129470 -1.429015
H -4.676224 1.627116 0.165830
H -5.920213 0.352668 0.038353
H 0.097701 3.643306 -2.252324
H 0.131764 3.599671 2.054916
H -0.128474 4.844070 -0.085673


%chk=000279712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279712

0 1
O 2.386186 -0.530706 2.013803
O -0.140607 -1.373081 1.955493
N -1.424290 -1.266218 0.035135
N -4.135330 -0.577640 -0.651373
C 2.313391 -0.846107 0.587906
C 2.515370 -2.369046 0.302983
C 3.533205 -0.182397 -0.113842
C 0.930550 -0.357572 -0.020839
C 3.123808 -2.429184 -1.116478
C 4.078779 -1.196009 -1.170503
C -0.247601 -1.033514 0.719237
C 0.750388 1.163025 -0.018938
C -1.757607 -0.811515 -1.332362
C -2.564998 -1.914014 0.727995
C -2.994370 0.112554 -1.296546
C -3.790262 -0.980920 0.733544
C 0.846225 1.891149 -1.233306
C 0.500369 1.876784 1.182656
C -5.382784 0.208272 -0.719554
C 0.697049 3.295979 -1.254896
C 0.351046 3.281171 1.162937
C 0.446916 3.997201 -0.053190
H 1.591796 -2.964144 0.417999
H 3.245239 -2.737897 1.048262
H 4.276611 0.017791 0.676697
H 3.269134 0.791327 -0.559396
H 0.937482 -0.697984 -1.072961
H 2.330454 -2.341832 -1.885372
H 3.651017 -3.380418 -1.310355
H 5.107192 -1.504617 -0.907982
H 4.125760 -0.759976 -2.184945
H 1.535268 -0.901593 2.405136
H -1.987921 -1.696693 -1.957416
H -0.913103 -0.268400 -1.777752
H -2.243313 -2.157175 1.752457
H -2.819964 -2.846254 0.187969
H -2.719585 1.059329 -0.764734
H -3.276589 0.374493 -2.333327
H -4.651089 -1.519282 1.171565
H -3.573446 -0.094514 1.382876
H 1.051264 1.354750 -2.169978
H 0.434437 1.332542 2.129441
H -5.628849 0.423847 -1.774730
H -5.325095 1.182010 -0.171250
H -6.213705 -0.378205 -0.288523
H 0.779092 3.840050 -2.202771
H 0.165777 3.819109 2.099718
H 0.331902 5.086924 -0.063787


